1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one

C20H29F2N5O3 — CID 69189287

IUPAC1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
SMILESN[C@@H](CC(=O)N1CCC[C@H]1c1nc(C2CCCC2)no1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C20H29F2N5O3/c21-20(22)8-7-16(28)26(12-20)11-14(23)10-17(29)27-9-3-6-15(27)19-24-18(25-30-19)13-4-1-2-5-13/h13-15H,1-12,23H2/t14-,15-/m0/s1
InChIKeyZPPKESIUILPESE-GJZGRUSLSA-N
MW425.48 g/mol
LogP2.37
Rot. Bonds6

About 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one

1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one (PubChem CID 69189287) has the molecular formula C20H29F2N5O3 and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
PubChem CID69189287
Molecular FormulaC20H29F2N5O3
Molecular Weight425.48 g/mol
Exact Mass425.22
IUPAC Name1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
SMILESN[C@@H](CC(=O)N1CCC[C@H]1c1nc(C2CCCC2)no1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C20H29F2N5O3/c21-20(22)8-7-16(28)26(12-20)11-14(23)10-17(29)27-9-3-6-15(27)19-24-18(25-30-19)13-4-1-2-5-13/h13-15H,1-12,23H2/t14-,15-/m0/s1
InChIKeyZPPKESIUILPESE-GJZGRUSLSA-N
XLogP2.37
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one (CID 69189287) is 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one is N[C@@H](CC(=O)N1CCC[C@H]1c1nc(C2CCCC2)no1)CN1CC(F)(F)CCC1=O.
What is the InChIKey of 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
The InChIKey is ZPPKESIUILPESE-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H29F2N5O3/c21-20(22)8-7-16(28)26(12-20)11-14(23)10-17(29)27-9-3-6-15(27)19-24-18(25-30-19)13-4-1-2-5-13/h13-15H,1-12,23H2/t14-,15-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one?
1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one has a molecular weight of 425.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one is sourced from PubChem (CID 69189287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).